| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 21 | Yes |
Popular Name: 2-[(4-isopropylpiperazin-1-yl)methyl]-3H-quinazolin-4-one 2-[(4-isopropylpiperazin-1-yl)me…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.46 | 5.99 | -43.92 | 2 | 5 | 1 | 53 | 287.387 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.46 | 3.72 | -10.16 | 1 | 5 | 0 | 52 | 286.379 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.46 | 6 | -48.1 | 2 | 5 | 1 | 53 | 287.387 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
